1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

C15H23NO4 — CID 67300348

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC12CC3CC(C1)C(C(=O)O)(C3)C2
InChIInChI=1S/C15H23NO4/c1-13(2,3)20-12(19)16-14-5-9-4-10(7-14)15(6-9,8-14)11(17)18/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVEVRBBRDHAOITK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.54
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (PubChem CID 67300348) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
PubChem CID67300348
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC12CC3CC(C1)C(C(=O)O)(C3)C2
InChIInChI=1S/C15H23NO4/c1-13(2,3)20-12(19)16-14-5-9-4-10(7-14)15(6-9,8-14)11(17)18/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVEVRBBRDHAOITK-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 152800151
tert-butyl N-(1-adamantylamino)carbamate
CID 57256539
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
(1S,3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 131042947
tert-butyl N-[3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-1-adamantyl]carbamate
CID 166423356
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1,2-dicarboxylic acid
CID 23182235
tert-butyl N-[(1R,3R,5S)-3-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]carbamate
CID 10036692
tert-butyl N-[(5S,7R)-3-[(4-thiophen-2-ylbenzoyl)amino]-1-adamantyl]carbamate
CID 175969899
1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-2-carboxylic acid
CID 169227999
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylic acid
CID 98172538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (CID 67300348) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is CC(C)(C)OC(=O)NC12CC3CC(C1)C(C(=O)O)(C3)C2.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The InChIKey is VEVRBBRDHAOITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13(2,3)20-12(19)16-14-5-9-4-10(7-14)15(6-9,8-14)11(17)18/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is sourced from PubChem (CID 67300348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).